methyl 4-({N'-(4-chloro-2-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Chemical Structure Depiction of
methyl 4-({N'-(4-chloro-2-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
methyl 4-({N'-(4-chloro-2-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate
Compound characteristics
| Compound ID: | L088-1449 |
| Compound Name: | methyl 4-({N'-(4-chloro-2-methylphenyl)-N-[(oxolan-2-yl)methyl]carbamimidoyl}carbamoyl)benzoate |
| Molecular Weight: | 429.9 |
| Molecular Formula: | C22 H24 Cl N3 O4 |
| Smiles: | Cc1cc(ccc1/N=C(\NCC1CCCO1)NC(c1ccc(cc1)C(=O)OC)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.3368 |
| logD: | 4.3202 |
| logSw: | -4.557 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.982 |
| InChI Key: | KIMMIXVVFVIYQG-GOSISDBHSA-N |